Formula Hf6F24
Reduced formula HfF4
Stoichiometry AB4
Number of species 2
Number of atoms 30
Unique ID Hf6F24
Unit cell volume [Å3] 344.990
Heat of formation [eV/atom] -3.847
Energy [eV] -198.522
Maximum force [eV/Å] 0.103
Maximum stress component [eV/Å3] 0.077
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.478 0.000 -6.108 Yes
2 5.792 -4.892 -0.027 Yes
3 -5.792 -4.892 0.027 Yes
Lengths [Å] 7.574 7.582 7.582
Angles [°] 99.627 117.035 62.965
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